BDBM50336695 3-Benzo[1,3]dioxol-5-yl-4-{3-[1-(2-{2-[2-(2-fluoroethoxy)ethoxy]-ethoxy}ethyl)-1H-1,2,3-triazol-4-ylmethoxy]-4,5-dimethoxybenzyl}-5-hydroxy-5-(4-methoxyphenyl)-5H-furan-2-one::CHEMBL1672881
SMILES: COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCc2cn(CCOCCOCCOCCF)nn2)c1)c1ccc2OCOc2c1
InChI Key: InChIKey=MNTUQBKGVBUMOH-UHFFFAOYSA-N
Data: 2 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Endothelin receptor ET-A (Mus musculus) | BDBM50336695 (3-Benzo[1,3]dioxol-5-yl-4-{3-[1-(2-{2-[2-(2-fluoro...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital Mu£nster Curated by ChEMBL | Assay Description Displacement of [125I]ET1 from ETA receptor in CD1 Nu/Nu mouse myocardial ventricles membranes after 2 hrs by gamma counting | J Med Chem 54: 939-48 (2011) Article DOI: 10.1021/jm101110w BindingDB Entry DOI: 10.7270/Q2V69JW4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endothelin B receptor (Mus musculus) | BDBM50336695 (3-Benzo[1,3]dioxol-5-yl-4-{3-[1-(2-{2-[2-(2-fluoro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital Mu£nster Curated by ChEMBL | Assay Description Displacement of [125I]ET1 from ETB receptor in CD1 Nu/Nu mouse myocardial ventricles membranes after 2 hrs by gamma counting | J Med Chem 54: 939-48 (2011) Article DOI: 10.1021/jm101110w BindingDB Entry DOI: 10.7270/Q2V69JW4 | |||||||||||
More data for this Ligand-Target Pair |